General Information of the Compound
| Compound ID |
CP0130719
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| Compound Name |
CHEMBL4866794
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| Formula |
C21H25N5O3S2
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| Molecular Weight |
459.597
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| Canonical SMILES |
Cc1ncc(s1)-c1nc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1
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| InChI |
InChI=1S/C21H25N5O3S2/c1-12-3-8-16(31(28,29)26-14-4-6-15(27)7-5-14)9-17(12)18-10-24-21(22)20(25-18)19-11-23-13(2)30-19/h3,8-11,14-15,26-27H,4-7H2,1-2H3,(H2,22,24)/t14-,15-
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| InChIKey |
IRSBDEIZBPKIFF-SHTZXODSSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound